CID 5270972

Schembl6679208

Structural Information

Molecular Formula
C22H28O6
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C(=C2C(CC)O)OCCO
InChI
InChI=1S/C22H28O6/c1-5-7-13-12-16(25)27-21-17(13)20-14(8-9-22(3,4)28-20)19(26-11-10-23)18(21)15(24)6-2/h8-9,12,15,23-24H,5-7,10-11H2,1-4H3
InChIKey
BSNNRSCFVADDSZ-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethoxy)-6-(1-hydroxypropyl)-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

388.1886 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19588 193.6
[M+Na]+ 411.17782 202.1
[M-H]- 387.18132 197.9
[M+NH4]+ 406.22242 205.9
[M+K]+ 427.15176 200.8
[M+H-H2O]+ 371.18586 186.2
[M+HCOO]- 433.18680 206.9
[M+CH3COO]- 447.20245 221.4
[M+Na-2H]- 409.16327 197.0
[M]+ 388.18805 201.8
[M]- 388.18915 201.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe